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Muscimol hydrobromide

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Name

Muscimol hydrobromide

EINECS N/A
CAS No. 18174-72-6 Density 1.291 g/cm3
PSA 72.28000 LogP 1.49730
Solubility N/A Melting Point 172 °C
Formula C4H7BrN2O2 Boiling Point 325 °C at 760 mmHg
Molecular Weight 195.016 Flash Point 150.4 °C
Transport Information N/A Appearance off-white powder
Safety 22-36/37/39-45 Risk Codes 25
Molecular Structure Molecular Structure of 18174-72-6 (MUSCIMOL HYDRATE) Hazard Symbols ToxicT
Synonyms

3(2H)-Isoxazolone,5-(aminomethyl)-, hydrobromide (1:1);3-Isoxazolol, 5-(aminomethyl)-, monohydrobromide(8CI);3(2H)-Isoxazolone,5-(aminomethyl)-, monohydrobromide (9CI);5-(Aminomethyl)-3(2H)-isoxazolonmonohydrobromide;5-(Aminomethyl)-1,2-oxazol-3(2H)-one;

Article Data 1

Muscimol hydrobromide Specification

The Muscimol hydrobromide, with the CAS registry number 18174-72-6, is also known as 5-(Aminomethyl)-3(2H)-isoxazolonmonohydrobromide. This chemical's molecular formula is C4H7BrN2O2 and molecular weight is 195.01. What's more, its systematic name is 5-(Aminomethyl)-1,2-oxazol-3(2H)-one. It should be sealed and stored in cool and dry places at the temperature of 2-8 °C.It is a tan Solid which is a potent but toxic structural analogue of g-aminobutyric acid (gaba), with a zwitterionic structure that can cross the blood-brain barrier.

Physical properties of Muscimol hydrobromide are:
(1)ACD/LogP:  -0.444; (2)# of Rule of 5 Violations:  0; (3)ACD/BCF (pH 5.5):  1.00; (4)ACD/BCF (pH 7.4):  1.00; (5)ACD/KOC (pH 5.5):  1.00; (6)ACD/KOC (pH 7.4):  1.00; (7)#H bond acceptors:  4; (8)#H bond donors:  3; (9)#Freely Rotating Bonds:  2; (10)Flash Point:  93.4 °C; (11)Enthalpy of Vaporization:  48.26 kJ/mol; (12)Boiling Point:  230.8 °C at 760 mmHg; (13)Vapour Pressure:  0.0463 mmHg at 25°C.

Safety information of Muscimol hydrobromide:
When you are using this chemical, please be cautious about it as the following:You should not swallow it or breathe dust of it. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(ONC1=O)CN.Br
(2)InChI: InChI=1S/C4H6N2O2.BrH/c5-2-3-1-4(7)6-8-3;/h1H,2,5H2,(H,6,7);1H
(3)InChIKey: OPZOJWHOZRKYQX-UHFFFAOYSA-N

The toxicity data of Muscimol hydrobromide as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 13844ug/kg (13.844mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Neuropharmacology. Vol. 21, Pg. 803, 1982.

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